SCHEMBL7940541

SCHEMBL7940541

CN1C(=O)C(c2ccc(S(F)(F)(F)(F)F)cc2)(c2cccc(-c3cc(C#N)ccc3F)c2)N=C1N

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.61
CTSD P07339 10/20 0.61
BACE2 Q9Y5Z0 10/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4125141 0.89 BACE1 (0.75) BACE1CTSDBACE2
SCHEMBL4518436 0.85 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL4113083 0.85 BACE1 (0.67) BACE1CTSDBACE2
SCHEMBL4103867 0.84 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL4120118 0.84 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL4121200 0.83 BACE1 (0.81) BACE1CTSDBACE2
SCHEMBL4808107 0.83 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL4915936 0.82 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL4115798 0.82 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL4516296 0.82 BACE1 (0.64) BACE1CTSDBACE2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233943-A9 NEW COMPOUNDS 835 ASTEX THERAPEUTICS LIMITED (GB) 2009-09-17 US disclosed
US-20080287460-A1 NEW COMPOUNDS 835 ASTEX THERAPEUTICS LIMITED (GB) 2008-11-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080287460-A1 NEW COMPOUNDS 835 GRIK5, MAPT, PSEN1 BACE1 6/4885CTSD 1954/4885BACE2 25/4885
US-20090233943-A9 NEW COMPOUNDS 835 GRIK5, MAPT, PSEN1 BACE1 6/4885CTSD 1954/4885BACE2 25/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.